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DocumentationIdentifier: MM59333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59333 |
| SMILES |
C=C(C)C(C)(O)CCC=O
|
| InChIKey |
XGUGETDCVNBTDI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77200
Similarity: 0.7664
Similarity to MM77200
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8678 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242226
Similarity: 0.7134
Similarity to MM242226
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8327 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41886
Similarity: 0.6591
Similarity to MM41886
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.7945 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
